Pseudoephedrine sulfateProduct ingredient for Pseudoephedrine

Name
Pseudoephedrine sulfate
Drug Entry
Pseudoephedrine

Pseudoephedrine is structurally related to ephedrine but exerts a weaker effect on the sympathetic nervous system.1,2 Both drugs naturally occur in in ephedra plant which have a history of use in traditional Eastern medicine and were first researched in the west in 1889.2 The decongestant effect of pseudoephedrine was described in dogs in 1927.2

Accession Number
DBSALT000150
Structure
Thumb
Synonyms
Pseudoephedrine sulfate
External IDs
Sch 4855
UNII
Y9DL7QPE6B
CAS Number
7460-12-0
Weight
Average: 428.54
Monoisotopic: 428.198107932
Chemical Formula
C20H32N2O6S
InChI Key
CAVQBDOACNULDN-NRCOEFLKSA-N
InChI
InChI=1S/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10+;/m00./s1
IUPAC Name
bis((1S,2S)-2-(methylamino)-1-phenylpropan-1-ol); sulfuric acid
SMILES
OS(O)(=O)=O.CN[C@@H](C)[C@@H](O)C1=CC=CC=C1.CN[C@@H](C)[C@@H](O)C1=CC=CC=C1
PubChem Compound
62945
ChemSpider
7978435
ChEBI
774851
ChEMBL
CHEMBL3989855
Wikipedia
Pseudoephedrine
Predicted Properties
PropertyValueSource
Water Solubility8.26 mg/mLALOGPS
logP1ALOGPS
logP1.32ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)13.89ChemAxon
pKa (Strongest Basic)9.52ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area32.26 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity49.69 m3·mol-1ChemAxon
Polarizability18.75 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon